5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine

C17H19NO5 — CID 150335544

IUPAC5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
SMILESCOCCOc1ccc(C2COc3cccc(OC)c3O2)cn1
InChIInChI=1S/C17H19NO5/c1-19-8-9-21-16-7-6-12(10-18-16)15-11-22-14-5-3-4-13(20-2)17(14)23-15/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyGQOZJKIHBGLMBH-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.63
Rot. Bonds6

About 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine

5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine (PubChem CID 150335544) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine.

Molecular Properties

Compound Name5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
PubChem CID150335544
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine
SMILESCOCCOc1ccc(C2COc3cccc(OC)c3O2)cn1
InChIInChI=1S/C17H19NO5/c1-19-8-9-21-16-7-6-12(10-18-16)15-11-22-14-5-3-4-13(20-2)17(14)23-15/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyGQOZJKIHBGLMBH-UHFFFAOYSA-N
XLogP2.63
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
The IUPAC name of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine (CID 150335544) is 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine.
What is the SMILES notation for 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
The canonical SMILES for 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine is COCCOc1ccc(C2COc3cccc(OC)c3O2)cn1.
What is the InChIKey of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
The InChIKey is GQOZJKIHBGLMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-19-8-9-21-16-7-6-12(10-18-16)15-11-22-14-5-3-4-13(20-2)17(14)23-15/h3-7,10,15H,8-9,11H2,1-2H3.
What are the key properties of 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine?
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine has a molecular weight of 317.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)-2-(2-methoxyethoxy)pyridine is sourced from PubChem (CID 150335544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).